(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C15H20FNO2 — CID 112706029

IUPAC(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cc(F)ccc1C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H20FNO2/c1-11-9-13(16)4-5-14(11)15(19)17-7-2-3-12(10-17)6-8-18/h4-5,9,12,18H,2-3,6-8,10H2,1H3
InChIKeyNBHKTZZDVYHVSA-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.37
Rot. Bonds3

About (4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 112706029) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID112706029
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cc(F)ccc1C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H20FNO2/c1-11-9-13(16)4-5-14(11)15(19)17-7-2-3-12(10-17)6-8-18/h4-5,9,12,18H,2-3,6-8,10H2,1H3
InChIKeyNBHKTZZDVYHVSA-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372699
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
(5-fluoro-2-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96572024
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449
[3-(aminomethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone;hydrochloride
CID 119465078
(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855483

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 112706029) is (4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is Cc1cc(F)ccc1C(=O)N1CCCC(CCO)C1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is NBHKTZZDVYHVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-9-13(16)4-5-14(11)15(19)17-7-2-3-12(10-17)6-8-18/h4-5,9,12,18H,2-3,6-8,10H2,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 265.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 112706029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).